2-Cyano-1-methyl-pyridinium nitrate

Area of Science:

• Crystallography
• Materials Science
• Supramolecular Chemistry

Background:

• Understanding the packing of organic cations and inorganic anions is crucial for designing new materials.
• Layered structures with short inter-layer distances are of interest for various applications.

Purpose of the Study:

• To characterize the crystal structure of a novel compound C(7)H(7)N(2)(+)·NO(3)(-).
• To investigate the intermolecular interactions responsible for the observed crystal packing and layer stabilization.

Main Methods:

• Single-crystal X-ray diffraction was used to determine the three-dimensional crystal structure.
• Analysis of non-covalent interactions, including hydrogen bonding and anion-π interactions, was performed.

Main Results:

• The crystal structure exhibits a crystallographic mirror plane, with most atoms lying on it.
• An exceptionally short inter-layer distance of 3.055(1) Å was observed.
• Two-dimensional hydrogen-bonded networks (C-H⋯O) link cations and anions, while C-H⋯N interactions link cations within layers.
• Anion-π interactions contribute to the binding of adjacent layers.

Conclusions:

• The studied compound forms a stable layered structure stabilized by a combination of hydrogen bonding and anion-π interactions.
• The short inter-layer distance is a significant feature of this crystal packing.
• This structural motif could inform the design of new materials with tailored properties.